UCSF

ZINC42781446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 8.03 -42.44 1 4 0 58 236.315 4
Mid Mid (pH 6-8) 3.04 7.67 -48.03 0 4 -1 56 235.307 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )